8-(trifluoromethyl)-4-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyrrolo[1,2-a]quinoxaline

C22H17F6N5 — CID 155406860

IUPAC8-(trifluoromethyl)-4-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyrrolo[1,2-a]quinoxaline
SMILESFC(F)(F)c1ccc(N2CCN(c3nc4ccc(C(F)(F)F)cc4n4cccc34)CC2)nc1
InChIInChI=1S/C22H17F6N5/c23-21(24,25)14-3-5-16-18(12-14)33-7-1-2-17(33)20(30-16)32-10-8-31(9-11-32)19-6-4-15(13-29-19)22(26,27)28/h1-7,12-13H,8-11H2
InChIKeySYDUPXITOYABMV-UHFFFAOYSA-N
MW465.40 g/mol
LogP5.25
Rot. Bonds2

About 8-(trifluoromethyl)-4-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyrrolo[1,2-a]quinoxaline

8-(trifluoromethyl)-4-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyrrolo[1,2-a]quinoxaline (PubChem CID 155406860) has the molecular formula C22H17F6N5 and a molecular weight of 465.40 g/mol. Its IUPAC name is 8-(trifluoromethyl)-4-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyrrolo[1,2-a]quinoxaline.

Molecular Properties

Compound Name8-(trifluoromethyl)-4-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyrrolo[1,2-a]quinoxaline
PubChem CID155406860
Molecular FormulaC22H17F6N5
Molecular Weight465.40 g/mol
Exact Mass465.14
IUPAC Name8-(trifluoromethyl)-4-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyrrolo[1,2-a]quinoxaline
SMILESFC(F)(F)c1ccc(N2CCN(c3nc4ccc(C(F)(F)F)cc4n4cccc34)CC2)nc1
InChIInChI=1S/C22H17F6N5/c23-21(24,25)14-3-5-16-18(12-14)33-7-1-2-17(33)20(30-16)32-10-8-31(9-11-32)19-6-4-15(13-29-19)22(26,27)28/h1-7,12-13H,8-11H2
InChIKeySYDUPXITOYABMV-UHFFFAOYSA-N
XLogP5.25
TPSA36.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.40
LogP ≤ 55.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-(trifluoromethyl)-4-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyrrolo[1,2-a]quinoxaline?
The IUPAC name of 8-(trifluoromethyl)-4-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyrrolo[1,2-a]quinoxaline (CID 155406860) is 8-(trifluoromethyl)-4-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyrrolo[1,2-a]quinoxaline.
What is the SMILES notation for 8-(trifluoromethyl)-4-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyrrolo[1,2-a]quinoxaline?
The canonical SMILES for 8-(trifluoromethyl)-4-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyrrolo[1,2-a]quinoxaline is FC(F)(F)c1ccc(N2CCN(c3nc4ccc(C(F)(F)F)cc4n4cccc34)CC2)nc1.
What is the InChIKey of 8-(trifluoromethyl)-4-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyrrolo[1,2-a]quinoxaline?
The InChIKey is SYDUPXITOYABMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17F6N5/c23-21(24,25)14-3-5-16-18(12-14)33-7-1-2-17(33)20(30-16)32-10-8-31(9-11-32)19-6-4-15(13-29-19)22(26,27)28/h1-7,12-13H,8-11H2.
What are the key properties of 8-(trifluoromethyl)-4-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyrrolo[1,2-a]quinoxaline?
8-(trifluoromethyl)-4-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyrrolo[1,2-a]quinoxaline has a molecular weight of 465.40 g/mol, XLogP of 5.25, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(trifluoromethyl)-4-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyrrolo[1,2-a]quinoxaline is sourced from PubChem (CID 155406860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).